DL-serine

Simulation outputs:

	Parameter	Value
	Field strength	400.13(MHz)
	RMSD of the fit	0.00718
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
	Note 1	None

Sample description:

Compound	Type	Concentration
Serine	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	8	9	10
8	3.973	-12.366	3.507
9	0	3.936	5.734
10	0	0	3.832

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
3.82022	0.44365	standard
3.83033	0.653672	standard
3.83318	0.689108	standard
3.84312	0.634689	standard
3.90864	0.247357	standard
3.92206	0.156937	standard
3.93949	0.899502	standard
3.95292	0.892409	standard
3.95873	1.00002	standard
3.96838	0.816205	standard
3.98957	0.226046	standard
3.99912	0.17555	standard
3.68809	0.0447541	standard
3.92075	1.0	standard
4.06133	0.0958061	standard
3.73907	0.0696004	standard
3.79402	0.130887	standard
3.83214	0.236411	standard
3.88718	0.508236	standard
3.92776	1.0	standard
3.98253	0.31123	standard
4.01607	0.189633	standard
3.76421	0.091017	standard
3.83098	0.275534	standard
3.87858	0.405361	standard
3.93149	1.00001	standard
3.97947	0.374606	standard
4.08136	0.0238221	standard
3.77245	0.102195	standard
3.83325	0.311142	standard
3.87599	0.370042	standard
3.93275	1.0	standard
3.97678	0.417884	standard
4.06876	0.0272723	standard
3.77899	0.116596	standard
3.83466	0.31856	standard
3.87451	0.333327	standard
3.93349	1.00001	standard
3.97531	0.455447	standard
4.05832	0.030909	standard
3.80712	0.283797	standard
3.82981	0.652494	standard
3.85224	0.573442	standard
3.87744	0.164547	standard
3.90156	0.0693429	standard
3.93869	0.936106	standard
3.95067	1.0	standard
3.96251	0.846626	standard
3.97123	0.75482	standard
4.01143	0.0923974	standard
4.03258	0.0523341	standard
3.81598	0.244898	standard
3.83215	0.43596	standard
3.84638	0.393456	standard
3.89843	0.124608	standard
3.91568	0.0621967	standard
3.93942	0.587802	standard
3.95605	1.00001	standard
3.96881	0.512207	standard
3.99658	0.101323	standard
4.0098	0.071963	standard
3.82022	0.443572	standard
3.83033	0.653654	standard
3.83318	0.689075	standard
3.84312	0.634636	standard
3.90864	0.247273	standard
3.92206	0.156864	standard
3.93949	0.899447	standard
3.95292	0.892394	standard
3.95873	1.00002	standard
3.96838	0.816139	standard
3.98957	0.225964	standard
3.99912	0.175468	standard
3.82269	0.536917	standard
3.83048	0.737656	standard
3.83333	0.779683	standard
3.84104	0.715691	standard
3.91459	0.325539	standard
3.92551	0.235469	standard
3.93929	0.972826	standard
3.95019	0.880576	standard
3.96102	1.00008	standard
3.9684	0.908071	standard
3.98571	0.309788	standard
3.99309	0.257496	standard
3.82437	0.591108	standard
3.83066	0.773566	standard
3.8334	0.81686	standard
3.83966	0.751304	standard
3.91856	0.382492	standard
3.92768	0.29949	standard
3.93909	0.985476	standard
3.9483	0.88773	standard
3.96261	1.0002	standard
3.9687	0.935209	standard
3.98323	0.37219	standard
3.98933	0.322204	standard
3.82555	0.631953	standard
3.8308	0.802759	standard
3.83334	0.843758	standard
3.83867	0.774053	standard
3.92123	0.429028	standard
3.92917	0.353791	standard
3.93889	0.98706	standard
3.94681	0.89348	standard
3.9639	1.00027	standard
3.969	0.949303	standard
3.98145	0.42392	standard
3.98666	0.37681	standard
3.82594	0.647964	standard
3.83088	0.804457	standard
3.83336	0.854498	standard
3.83817	0.788194	standard
3.92232	0.450123	standard
3.92976	0.379057	standard
3.93879	0.98888	standard
3.94621	0.897775	standard
3.96439	1.00026	standard
3.96921	0.953767	standard
3.98085	0.438049	standard
3.98567	0.401776	standard
3.82634	0.663864	standard
3.83098	0.823358	standard
3.83326	0.870435	standard
3.83788	0.795592	standard
3.92322	0.469752	standard
3.93025	0.402176	standard
3.93869	0.989808	standard
3.94562	0.901368	standard
3.96479	1.00027	standard
3.96931	0.957585	standard
3.98026	0.459616	standard
3.98478	0.424791	standard
3.82703	0.689949	standard
3.83117	0.852549	standard
3.83317	0.896629	standard
3.83729	0.810502	standard
3.9247	0.504044	standard
3.93095	0.442468	standard
3.93849	0.98684	standard
3.94473	0.903703	standard
3.96568	1.00031	standard
3.96961	0.963857	standard
3.97936	0.498649	standard
3.98329	0.466643	standard
3.82732	0.704384	standard
3.83115	0.854022	standard
3.83318	0.898477	standard
3.83699	0.820369	standard
3.9254	0.520193	standard
3.93134	0.461909	standard
3.93839	0.987181	standard
3.94433	0.906105	standard
3.96598	1.00031	standard
3.96971	0.966203	standard
3.97897	0.516261	standard
3.9827	0.485377	standard
3.82762	0.716018	standard
3.83124	0.864776	standard
3.83319	0.908135	standard
3.83679	0.827596	standard
3.92589	0.53497	standard
3.93154	0.479018	standard
3.93829	0.986666	standard
3.94393	0.90795	standard
3.96627	1.00032	standard
3.96981	0.968271	standard
3.97867	0.532615	standard
3.9822	0.502935	standard
3.82801	0.736569	standard
3.83133	0.887404	standard
3.83309	0.928308	standard
3.8364	0.840388	standard
3.92688	0.562778	standard
3.93204	0.512067	standard
3.93809	0.987505	standard
3.94324	0.912447	standard
3.96687	1.00031	standard
3.97011	0.971876	standard
3.97807	0.56309	standard
3.98131	0.534963	standard
3.82871	0.797308	standard
3.83141	0.924034	standard
3.83301	0.961477	standard
3.83571	0.861735	standard
3.92837	0.616781	standard
3.93273	0.571891	standard
3.93789	0.998025	standard
3.94225	0.930797	standard
3.96776	1.0004	standard
3.97041	0.991325	standard
3.97728	0.62351	standard
3.97993	0.609841	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

DL-serine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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